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

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[(2S)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[(2S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-4-keto-butyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid Formula: C46H71N13O15 MolecularWeight: 1046.13404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CCC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C46H71N13O15/c1-23(2)36(45(73)74)58-38(66)25(4)53-43(71)32-13-9-21-59(32)44(72)30(15-17-33(48)60)56-40(68)28(12-8-20-51-46(49)50)55-42(70)31(22-26-10-6-5-7-11-26)57-41(69)29(16-19-35(63)64)54-37(65)24(3)52-39(67)27(47)14-18-34(61)62/h5-7,10-11,23-25,27-32,36H,8-9,12-22,47H2,1-4H3,(H2,48,60)(H,52,67)(H,53,71)(H,54,65)(H,55,70)(H,56,68)(H,57,69)(H,58,66)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,25-,27-,28-,29-,30-,31-,32-,36-/m0/s1