(4S)-5-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[[(2R)-4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[[(2R)-4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-valeric acid Formula: C30H45N7O8 MolecularWeight: 631.7204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)N

Isomeric SMILES

CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N

InChI

InChI=1S/C30H45N7O8/c1-17(2)13-18(15-25(38)37-45)28(42)36-24(14-19-16-33-21-8-4-3-7-20(19)21)30(44)35-23(10-11-26(39)40)29(43)34-22(27(32)41)9-5-6-12-31/h3-4,7-8,16-18,22-24,33,45H,5-6,9-15,31H2,1-2H3,(H2,32,41)(H,34,43)(H,35,44)(H,36,42)(H,37,38)(H,39,40)/t18-,22+,23+,24+/m1/s1