(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[2-[(2S)-2-[[(2S)-1-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[2-[(2S)-2-[[(2S)-1-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[2-[(2S)-2-[[(1S)-2-[[2-(carboxymethylamino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-[[2-[(2S)-2-[[[(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[2-[(2S)-2-[[(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[2-[(2S)-2-[[(1S)-2-[[2-(carboxymethylamino)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C36H62N12O12 MolecularWeight: 854.95068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)N1CCCC1C(=O)NC(C)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(C(C)C)N

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C36H62N12O12/c1-18(2)14-23(47-35(60)29(37)19(3)4)33(58)45-21(8-6-12-40-36(38)39)32(57)46-22(10-11-27(51)52)31(56)43-16-26(50)48-13-7-9-24(48)34(59)44-20(5)30(55)42-15-25(49)41-17-28(53)54/h18-24,29H,6-17,37H2,1-5H3,(H,41,49)(H,42,55)(H,43,56)(H,44,59)(H,45,58)(H,46,57)(H,47,60)(H,51,52)(H,53,54)(H4,38,39,40)/t20-,21-,22-,23-,24-,29-/m0/s1