(4S)-5-[[(2S)-5-azanyl-1-[[(2S,3R)-1-[[(2S)-5-azanyl-1-(carboxymethylamino)-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-5-azanyl-1-[[(2S,3R)-1-[[(2S)-5-azanyl-1-(carboxymethylamino)-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-4-amino-1-(carboxymethylcarbamoyl)-4-oxo-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]amino]-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-5-amino-1-(carboxymethylamino)-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-5-amino-1-(carboxymethylamino)-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-4-amino-1-(carboxymethylcarbamoyl)-4-keto-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-keto-butyl]amino]-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]prolyl]amino]-5-keto-valeric acid Formula: C40H69N17O15 MolecularWeight: 1028.08076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

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

InChI

InChI=1S/C40H69N17O15/c1-19(58)31(38(72)55-22(8-11-26(42)59)34(68)51-18-30(64)65)56-36(70)23(9-12-27(43)60)53-35(69)24(10-13-29(62)63)54-37(71)25-7-4-16-57(25)28(61)17-50-33(67)21(6-3-15-49-40(46)47)52-32(66)20(41)5-2-14-48-39(44)45/h19-25,31,58H,2-18,41H2,1H3,(H2,42,59)(H2,43,60)(H,50,67)(H,51,68)(H,52,66)(H,53,69)(H,54,71)(H,55,72)(H,56,70)(H,62,63)(H,64,65)(H4,44,45,48)(H4,46,47,49)/t19-,20+,21+,22+,23+,24+,25+,31+/m1/s1