(2S,3R)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]butyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]butanoic acid IUPAC Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]butanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-(methylthio)-2-[[(2S)-prolyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]butyric acid Formula: C37H56N8O9S MolecularWeight: 788.95374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C3CCCN3

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]3CCCN3)O

InChI

InChI=1S/C37H56N8O9S/c1-19(2)16-28(43-31(47)20(3)40-34(50)27(13-15-55-6)42-33(49)26-12-9-14-38-26)36(52)44-29(17-23-18-39-25-11-8-7-10-24(23)25)35(51)41-21(4)32(48)45-30(22(5)46)37(53)54/h7-8,10-11,18-22,26-30,38-39,46H,9,12-17H2,1-6H3,(H,40,50)(H,41,51)(H,42,49)(H,43,47)(H,44,52)(H,45,48)(H,53,54)/t20-,21-,22+,26-,27-,28-,29-,30-/m0/s1