(4S)-4-azanyl-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1R)-2-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-(carboxymethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1R)-2-[[(1S)-2-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-(carboxymethylamino)-2-keto-1-methyl-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C38H65N13O16S MolecularWeight: 992.0652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C38H65N13O16S/c1-4-17(2)29(51-34(64)22(9-12-27(56)57)47-35(65)23(15-52)49-36(66)24(16-68)50-31(61)19(39)7-11-26(54)55)37(67)48-20(6-5-13-43-38(41)42)33(63)46-21(8-10-25(40)53)32(62)45-18(3)30(60)44-14-28(58)59/h17-24,29,52,68H,4-16,39H2,1-3H3,(H2,40,53)(H,44,60)(H,45,62)(H,46,63)(H,47,65)(H,48,67)(H,49,66)(H,50,61)(H,51,64)(H,54,55)(H,56,57)(H,58,59)(H4,41,42,43)/t17-,18-,19-,20-,21-,22-,23-,24-,29-/m0/s1