(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1,4-bis(azanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1,4-bis(azanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-3-amino-1-carbamoyl-3-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-3-amino-1-carbamoyl-3-keto-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(glycylamino)-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butyric acid Formula: C40H56N14O14 MolecularWeight: 956.95804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C)NC(=O)C(CC3=CN=CN3)NC(=O)C(CO)NC(=O)CN)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CO)NC(=O)CN)O

InChI

InChI=1S/C40H56N14O14/c1-17(47-36(64)26(9-21-14-44-16-46-21)52-39(67)28(15-55)49-30(58)12-41)35(63)51-25(8-20-13-45-23-7-5-4-6-22(20)23)37(65)53-27(11-31(59)60)38(66)54-32(19(3)56)40(68)48-18(2)34(62)50-24(33(43)61)10-29(42)57/h4-7,13-14,16-19,24-28,32,45,55-56H,8-12,15,41H2,1-3H3,(H2,42,57)(H2,43,61)(H,44,46)(H,47,64)(H,48,68)(H,49,58)(H,50,62)(H,51,63)(H,52,67)(H,53,65)(H,54,66)(H,59,60)/t17-,18-,19+,24-,25-,26-,27-,28-,32-/m0/s1