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

Systemtic Name: 2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2,4-diamino-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,4-diamino-4-keto-butanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-pentanoyl]amino]acetic acid Formula: C48H76N12O15 MolecularWeight: 1061.18844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C48H76N12O15/c1-7-25(5)39(59-47(74)40(26(6)8-2)58-45(72)34-10-9-17-60(34)48(75)29(49)20-36(51)64)46(73)57-33(23-61)42(69)52-21-37(65)54-31(18-24(3)4)43(70)56-32(19-27-11-13-28(62)14-12-27)44(71)55-30(15-16-35(50)63)41(68)53-22-38(66)67/h11-14,24-26,29-34,39-40,61-62H,7-10,15-23,49H2,1-6H3,(H2,50,63)(H2,51,64)(H,52,69)(H,53,68)(H,54,65)(H,55,71)(H,56,70)(H,57,73)(H,58,72)(H,59,74)(H,66,67)/t25-,26-,29-,30-,31-,32-,33-,34-,39-,40-/m0/s1