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

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2R)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-mercapto-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C51H82N14O16S MolecularWeight: 1179.34598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CS)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)N

InChI

InChI=1S/C51H82N14O16S/c1-8-26(6)42(55)50(79)62-31(14-16-38(53)68)46(75)58-27(7)43(72)63-34(20-39(54)69)49(78)64-33(18-25(4)5)48(77)61-30(13-15-37(52)67)44(73)56-22-41(71)60-36(23-82)45(74)57-21-40(70)59-32(17-24(2)3)47(76)65-35(51(80)81)19-28-9-11-29(66)12-10-28/h9-12,24-27,30-36,42,66,82H,8,13-23,55H2,1-7H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,56,73)(H,57,74)(H,58,75)(H,59,70)(H,60,71)(H,61,77)(H,62,79)(H,63,72)(H,64,78)(H,65,76)(H,80,81)/t26-,27-,30-,31-,32-,33-,34-,35-,36-,42-/m0/s1