(2R,3S)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2R,3S)-1-[[(2R)-1-[[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-methyl-pentanamide

Systemtic Name: (2R,3S)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2R,3S)-1-[[(2R)-1-[[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-methyl-pentanamide Openeye Name: (2R,3S)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1R,2S)-1-[[(1R)-1-[[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]-3-methyl-pentanamide CAS Name: (2R,3S)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2R,3S)-1-[[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide IUPAC Name: (2R,3S)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2R,3S)-1-[[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide Traditional Name: (2R,3S)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1R,2S)-1-[[(1R)-1-[[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]-3-methyl-valeramide Formula: C48H69N9O7 MolecularWeight: 884.11756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(C)C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CC(C)C)NC(=O)C

InChI

InChI=1S/C48H69N9O7/c1-10-28(7)41(47(63)55-39(21-27(5)6)45(61)53-37(43(49)59)22-31-24-50-35-18-14-12-16-33(31)35)57-48(64)42(29(8)11-2)56-46(62)40(23-32-25-51-36-19-15-13-17-34(32)36)54-44(60)38(20-26(3)4)52-30(9)58/h12-19,24-29,37-42,50-51H,10-11,20-23H2,1-9H3,(H2,49,59)(H,52,58)(H,53,61)(H,54,60)(H,55,63)(H,56,62)(H,57,64)/t28-,29-,37+,38+,39+,40+,41+,42+/m0/s1