(4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[(2S)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[(2S)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S,2S)-1-[[(1S)-2-[[(1S)-3-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-oxo-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-4-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S,2S)-1-[[(1S)-2-[[(1S)-3-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-keto-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-4-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C47H69N13O14 MolecularWeight: 1040.12946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)N)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C47H69N13O14/c1-6-24(4)38(59-41(67)29(14-15-36(63)64)54-40(66)28(48)19-34(49)61)45(71)55-30(18-27-21-51-22-52-27)42(68)56-31(20-35(50)62)46(72)60-16-10-13-33(60)43(69)53-25(5)39(65)58-37(23(2)3)44(70)57-32(47(73)74)17-26-11-8-7-9-12-26/h7-9,11-12,21-25,28-33,37-38H,6,10,13-20,48H2,1-5H3,(H2,49,61)(H2,50,62)(H,51,52)(H,53,69)(H,54,66)(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,63,64)(H,73,74)/t24-,25-,28-,29-,30-,31-,32-,33-,37-,38-/m0/s1