(4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-[[(1S)-1-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-[[(1S)-1-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C35H55N9O11 MolecularWeight: 777.8649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCNC(=O)C)NC(=O)C(CCCN=C(N)N)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C35H55N9O11/c1-19(2)29(33(53)43-27(34(54)55)18-22-10-12-23(47)13-11-22)44-32(52)26(14-15-28(48)49)42-31(51)25(8-5-6-16-38-20(3)45)41-30(50)24(40-21(4)46)9-7-17-39-35(36)37/h10-13,19,24-27,29,47H,5-9,14-18H2,1-4H3,(H,38,45)(H,40,46)(H,41,50)(H,42,51)(H,43,53)(H,44,52)(H,48,49)(H,54,55)(H4,36,37,39)/t24-,25-,26-,27-,29-/m0/s1