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

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-guanidino-butyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-guanidino-butyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-keto-valeric acid Formula: C46H76N16O14 MolecularWeight: 1077.19444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H76N16O14/c1-21(2)16-27(47)37(67)61-35(22(3)4)43(73)58-29(12-13-34(64)65)39(69)57-28(10-8-14-52-46(49)50)38(68)60-31(18-33(48)63)41(71)54-23(5)36(66)59-30(17-26-19-51-20-53-26)40(70)55-24(6)44(74)62-15-9-11-32(62)42(72)56-25(7)45(75)76/h19-25,27-32,35H,8-18,47H2,1-7H3,(H2,48,63)(H,51,53)(H,54,71)(H,55,70)(H,56,72)(H,57,69)(H,58,73)(H,59,66)(H,60,68)(H,61,67)(H,64,65)(H,75,76)(H4,49,50,52)/t23-,24-,25-,27-,28-,29-,30-,31-,32-,35-/m0/s1