(4S)-4-azanyl-5-[[(2S)-4-azanyl-1-[[(2S,3S)-1-[[(2S)-4-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-4-azanyl-1-[[(2S,3S)-1-[[(2S)-4-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-3-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-5-keto-valeric acid Formula: C45H81N15O14 MolecularWeight: 1056.21674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C45H81N15O14/c1-7-24(6)36(60-43(73)31(20-33(49)62)56-37(67)25(47)13-14-34(63)64)44(74)59-30(19-32(48)61)42(72)54-26(11-8-9-15-46)39(69)58-29(18-23(4)5)41(71)55-27(12-10-16-52-45(50)51)40(70)57-28(17-22(2)3)38(68)53-21-35(65)66/h22-31,36H,7-21,46-47H2,1-6H3,(H2,48,61)(H2,49,62)(H,53,68)(H,54,72)(H,55,71)(H,56,67)(H,57,70)(H,58,69)(H,59,74)(H,60,73)(H,63,64)(H,65,66)(H4,50,51,52)/t24-,25-,26-,27-,28-,29-,30-,31-,36-/m0/s1