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

Systemtic Name: (2S)-1-[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]proline Formula: C39H59N9O15 MolecularWeight: 893.93706

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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)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)N2CCCC2C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)O)N

InChI

InChI=1S/C39H59N9O15/c1-5-18(2)30(41)35(58)44-25(16-27(40)52)34(57)47-32(20(4)50)37(60)45-24(15-21-8-10-22(51)11-9-21)33(56)46-31(19(3)49)36(59)42-17-28(53)43-23(12-13-29(54)55)38(61)48-14-6-7-26(48)39(62)63/h8-11,18-20,23-26,30-32,49-51H,5-7,12-17,41H2,1-4H3,(H2,40,52)(H,42,59)(H,43,53)(H,44,58)(H,45,60)(H,46,56)(H,47,57)(H,54,55)(H,62,63)/t18-,19+,20+,23-,24-,25-,26-,30-,31-,32-/m0/s1