Please Wait
Applying Filters...
menu
    • menu
    LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

    Virtual Booth

    Contact Supplier

    Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

    Virtual Booth

    Contact Supplier

    pharmacompass-1-m-2025-11-03

    Virtual Booth

    An Enquiry

    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-11-03

    Virtual Booth

    An Enquiry

    Menu

    Collagen I, alpha chain

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 97653-85-5
    Molecular Formula
    C57H91N19O16
    Molecular Weight
    1302.5  g/mol
    InChI Key
    LZCXUJHSTWYBEA-FUYNMKNISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]-5,6-ditritiohexanoyl]amino]acetyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl] (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoate
    2.1.2 InChI
    InChI=1S/C57H91N19O16/c1-4-5-14-38(70-45(80)26-67-51(86)39-22-35(78)25-64-39)53(88)74-36(15-9-10-17-58)49(84)65-28-47(82)72-41(21-34-24-62-31-69-34)55(90)75-37(16-11-18-63-57(60)61)50(85)66-27-46(81)71-40(20-33-12-7-6-8-13-33)54(89)76-43(30-77)52(87)68-29-48(83)92-56(91)42(19-32(2)3)73-44(79)23-59/h6-8,12-13,24,31-32,34-43,64,77-78H,4-5,9-11,14-23,25-30,58-59H2,1-3H3,(H,65,84)(H,66,85)(H,67,86)(H,68,87)(H,70,80)(H,71,81)(H,72,82)(H,73,79)(H,74,88)(H,75,90)(H,76,89)(H4,60,61,63)/t34?,35-,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1/i10T,17T/t10?,17?,34?,35-,36+,37+,38+,39+,40+,41+,42+,43+
    2.1.3 InChI Key
    LZCXUJHSTWYBEA-FUYNMKNISA-N
    2.1.4 Canonical SMILES
    CCCCC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC1C=NC=N1)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NCC(=O)OC(=O)C(CC(C)C)NC(=O)CN)NC(=O)CNC(=O)C3CC(CN3)O
    2.1.5 Isomeric SMILES
    [3H]C(CC[C@@H](C(=O)NCC(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)NCC(=O)OC(=O)[C@H](CC(C)C)NC(=O)CN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@@H]3C[C@H](CN3)O)C([3H])N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Gly-leu-hyp-gly-nle-lys-gly-his-arg-gly-phe-ser-gly

    2.2.2 Depositor-Supplied Synonyms

    1. 97653-85-5

    2.3 Create Date
    2006-07-04
    3 Chemical and Physical Properties
    Molecular Weight 1302.5 g/mol
    Molecular Formula C57H91N19O16
    XLogP3-5.1
    Hydrogen Bond Donor Count18
    Hydrogen Bond Acceptor Count21
    Rotatable Bond Count44
    Exact Mass1301.70556639 g/mol
    Monoisotopic Mass1301.70556639 g/mol
    Topological Polar Surface Area557 Ų
    Heavy Atom Count92
    Formal Charge0
    Complexity2580
    Isotope Atom Count2
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1