(3S)-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-(2,2-dimethoxyethylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-(2,2-dimethoxyethylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-(2,2-dimethoxyethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-(2,2-dimethoxyethylamino)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-(2,2-dimethoxyethylamino)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-(2,2-dimethoxyethylamino)-2-keto-1-methyl-ethyl]carbamoyl]pentyl]amino]-2-keto-1-methyl-ethyl]amino]-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butyric acid Formula: C29H47N7O10 MolecularWeight: 653.72438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(OC)OC)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

C[C@@H](C(=O)NCC(OC)OC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C29H47N7O10/c1-16(25(40)32-15-24(45-3)46-4)33-28(43)21(7-5-6-12-30)35-26(41)17(2)34-29(44)22(14-23(38)39)36-27(42)20(31)13-18-8-10-19(37)11-9-18/h8-11,16-17,20-22,24,37H,5-7,12-15,30-31H2,1-4H3,(H,32,40)(H,33,43)(H,34,44)(H,35,41)(H,36,42)(H,38,39)/t16-,17-,20-,21-,22-/m0/s1