(2S)-5-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[2-[[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-valeric acid Formula: C45H71N11O15 MolecularWeight: 1006.10994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C45H71N11O15/c1-6-22(3)35(42(67)52-30(21-57)40(65)51-29(45(70)71)15-17-33(48)61)53-39(64)28(14-16-32(47)60)50-34(62)20-49-41(66)31-9-8-18-56(31)44(69)36(23(4)7-2)54-43(68)37(24(5)58)55-38(63)27(46)19-25-10-12-26(59)13-11-25/h10-13,22-24,27-31,35-37,57-59H,6-9,14-21,46H2,1-5H3,(H2,47,60)(H2,48,61)(H,49,66)(H,50,62)(H,51,65)(H,52,67)(H,53,64)(H,54,68)(H,55,63)(H,70,71)/t22-,23-,24+,27-,28-,29-,30-,31-,35-,36-,37-/m0/s1