(2S)-2-[[(2R)-2-[[(2R)-2-[4-[[(2R)-2-[[(2R)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2R)-2-[4-[[(2R)-2-[[(2R)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2R)-2-[4-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2R)-2-[[4-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2R)-2-[4-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2R)-2-[4-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C37H58N8O8 MolecularWeight: 742.90522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C)NC(=O)C(C(C)C)N

Isomeric SMILES

C[C@H](C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CCCNC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)N

InChI

InChI=1S/C37H58N8O8/c1-19(2)16-28(37(52)53)44-36(51)31(21(5)6)45-33(48)22(7)41-29(46)14-11-15-39-34(49)27(17-24-18-40-26-13-10-9-12-25(24)26)43-32(47)23(8)42-35(50)30(38)20(3)4/h9-10,12-13,18-23,27-28,30-31,40H,11,14-17,38H2,1-8H3,(H,39,49)(H,41,46)(H,42,50)(H,43,47)(H,44,51)(H,45,48)(H,52,53)/t22-,23-,27-,28+,30-,31-/m1/s1