(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-azanyl-1-[[2-[[(2S)-1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-azanyl-1-[[2-[[(2S)-1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-4-amino-1-[[2-[[(1S)-2-(carboxymethylamino)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-3-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-4-amino-1-[[2-[[(1S)-2-(carboxymethylamino)-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]pentyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-3-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C46H70N14O14 MolecularWeight: 1043.1334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)O)N

InChI

InChI=1S/C46H70N14O14/c1-5-24(2)38(49)46(74)60-33(19-36(63)64)45(73)59-31(17-27-11-7-6-8-12-27)44(72)55-25(3)39(67)54-26(4)40(68)57-29(13-9-10-16-47)43(71)58-30(14-15-34(48)61)41(69)51-21-35(62)56-32(18-28-20-50-23-53-28)42(70)52-22-37(65)66/h6-8,11-12,20,23-26,29-33,38H,5,9-10,13-19,21-22,47,49H2,1-4H3,(H2,48,61)(H,50,53)(H,51,69)(H,52,70)(H,54,67)(H,55,72)(H,56,62)(H,57,68)(H,58,71)(H,59,73)(H,60,74)(H,63,64)(H,65,66)/t24-,25-,26-,29-,30-,31-,32-,33-,38-/m0/s1