(2S)-6-azanyl-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-amino-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[[(2S)-1-[(2R)-2-amino-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-amino-3-mercapto-propanoyl]prolyl]amino]-3-mercapto-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]hexanoic acid Formula: C39H58N12O10S2 MolecularWeight: 919.08222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CS)N)C(=O)NC(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CS)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C39H58N12O10S2/c40-13-5-4-9-26(39(60)61)46-32(53)18-44-33(54)25(11-12-31(42)52)47-35(56)28(16-23-17-43-21-45-23)49-34(55)27(15-22-7-2-1-3-8-22)48-36(57)29(20-63)50-37(58)30-10-6-14-51(30)38(59)24(41)19-62/h1-3,7-8,17,21,24-30,62-63H,4-6,9-16,18-20,40-41H2,(H2,42,52)(H,43,45)(H,44,54)(H,46,53)(H,47,56)(H,48,57)(H,49,55)(H,50,58)(H,60,61)/t24-,25-,26-,27-,28-,29-,30-/m0/s1