Collagen I, alpha chain (98-110)

[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

Also Known As: Collagen I, alpha chain (98-110)|Gly-leu-hyp-gly-nle-lys-gly-his-arg-gly-phe-ser-gly|[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

Molecular Formula	C57H91N19O16
Molecular Weight	1301.7056 g/mol
LogP	-7.8786
Topological Polar Surface Area	557.12 Ų
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	22
Rotatable Bonds	42
Exact Mass	1301.7056
Monoisotopic Mass	1301.7056
Heavy Atoms	92
Complexity	2822.4077

Chemical Identifiers

CAS Number	97653-85-5
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