(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]prolyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C55H83N11O14 MolecularWeight: 1122.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C55H83N11O14/c1-7-32(6)46(53(77)64-45(31(4)5)55(79)80)65-51(75)40(28-33-14-9-8-10-15-33)62-48(72)37(16-11-12-24-56)60-52(76)42-17-13-25-66(42)54(78)41(29-44(69)70)63-50(74)39(26-30(2)3)61-49(73)38(22-23-43(58)68)59-47(71)36(57)27-34-18-20-35(67)21-19-34/h8-10,14-15,18-21,30-32,36-42,45-46,67H,7,11-13,16-17,22-29,56-57H2,1-6H3,(H2,58,68)(H,59,71)(H,60,76)(H,61,73)(H,62,72)(H,63,74)(H,64,77)(H,65,75)(H,69,70)(H,79,80)/t32-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1