(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C58H69N11O11 MolecularWeight: 1096.23556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CNC7=CC=CC=C76)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N

InChI

InChI=1S/C58H69N11O11/c1-4-32(2)50(56(77)65-45(29-49(60)71)53(74)63-33(3)51(72)67-47(58(79)80)26-35-20-22-38(70)23-21-35)68-54(75)44(25-34-13-6-5-7-14-34)64-55(76)48-19-12-24-69(48)57(78)46(28-37-31-62-43-18-11-9-16-40(37)43)66-52(73)41(59)27-36-30-61-42-17-10-8-15-39(36)42/h5-11,13-18,20-23,30-33,41,44-48,50,61-62,70H,4,12,19,24-29,59H2,1-3H3,(H2,60,71)(H,63,74)(H,64,76)(H,65,77)(H,66,73)(H,67,72)(H,68,75)(H,79,80)/t32-,33-,41-,44-,45-,46-,47-,48-,50-/m0/s1