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

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[(2S)-2-[(2S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[(2S)-2-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-[(2S)-2-[[(2S)-2-[[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[(2S)-2-[(2S)-2-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[(2S)-2-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidino]-5-keto-valeric acid Formula: C45H76N14O15 MolecularWeight: 1053.16974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C(C)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)O)N)O

InChI

InChI=1S/C45H76N14O15/c1-21(2)19-27(56-41(70)34(48)23(5)60)38(67)53-25(12-14-31(46)61)37(66)55-28(20-32(47)62)39(68)52-24(9-6-16-51-45(49)50)36(65)54-26(13-15-33(63)64)42(71)59-18-8-11-30(59)43(72)58-17-7-10-29(58)40(69)57-35(22(3)4)44(73)74/h21-30,34-35,60H,6-20,48H2,1-5H3,(H2,46,61)(H2,47,62)(H,52,68)(H,53,67)(H,54,65)(H,55,66)(H,56,70)(H,57,69)(H,63,64)(H,73,74)(H4,49,50,51)/t23-,24+,25+,26+,27+,28+,29+,30+,34+,35+/m1/s1