(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C33H43N9O12 MolecularWeight: 757.74762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)N)O

InChI

InChI=1S/C33H43N9O12/c34-20(11-16-1-5-18(43)6-2-16)29(49)40-21(9-10-25(35)45)31(51)42-23(14-27(37)47)32(52)41-22(13-26(36)46)30(50)38-15-28(48)39-24(33(53)54)12-17-3-7-19(44)8-4-17/h1-8,20-24,43-44H,9-15,34H2,(H2,35,45)(H2,36,46)(H2,37,47)(H,38,50)(H,39,48)(H,40,49)(H,41,52)(H,42,51)(H,53,54)/t20-,21-,22-,23-,24-/m0/s1