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

Systemtic Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[(2S)-2-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-3-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[(2S)-2-[[[(2S)-5-amino-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]-5-[(2S)-2-[[(1S)-4-amino-1-[[(1S)-3-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-keto-butyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C44H73N13O15 MolecularWeight: 1024.12852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C44H73N13O15/c1-21(2)19-28(54-35(63)24(45)9-6-16-49-44(47)48)42(70)57-18-8-11-30(57)39(67)52-26(13-15-32(59)60)41(69)56-17-7-10-29(56)38(66)51-25(12-14-31(46)58)36(64)53-27(20-33(61)62)37(65)55-34(22(3)4)40(68)50-23(5)43(71)72/h21-30,34H,6-20,45H2,1-5H3,(H2,46,58)(H,50,68)(H,51,66)(H,52,67)(H,53,64)(H,54,63)(H,55,65)(H,59,60)(H,61,62)(H,71,72)(H4,47,48,49)/t23-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1