(2S)-2-[[(2R)-2-[2-[[(2S)-2-[2-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]hydrazinyl]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[2-[[(2S)-2-[2-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]hydrazinyl]-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]hydrazino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]hydrazo]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]hydrazinyl]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[2-[[(2S)-2-[N'-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]hydrazino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C50H57N11O13 MolecularWeight: 1020.05348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NNC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)NC(CO)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CC6=CC=C(C=C6)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NN[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)O)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)N

InChI

InChI=1S/C50H57N11O13/c51-35(17-27-9-13-31(64)14-10-27)45(68)59-41(25-62)47(70)55-23-43(66)56-38(19-29-21-52-36-7-3-1-5-33(29)36)49(72)61-60-39(20-30-22-53-37-8-4-2-6-34(30)37)46(69)54-24-44(67)57-42(26-63)48(71)58-40(50(73)74)18-28-11-15-32(65)16-12-28/h1-16,21-22,35,38-42,52-53,60,62-65H,17-20,23-26,51H2,(H,54,69)(H,55,70)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,61,72)(H,73,74)/t35-,38-,39-,40-,41+,42+/m0/s1