(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino] Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-1-[[2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-1-[[2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methyl-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-(glycylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butyric acid Formula: C66H109N17O18 MolecularWeight: 1428.67476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)CN

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C66H109N17O18/c1-14-38(12)56(83-58(93)39(13)74-61(96)48(27-55(90)91)82-64(99)46(25-40-18-16-15-17-19-40)81-62(97)44(23-36(8)9)76-50(85)28-67)66(101)73-32-54(89)78-47(26-49(68)84)65(100)80-45(24-37(10)11)63(98)79-43(22-35(6)7)60(95)71-29-51(86)70-30-52(87)77-42(21-34(4)5)59(94)72-31-53(88)75-41(57(69)92)20-33(2)3/h15-19,33-39,41-48,56H,14,20-32,67H2,1-13H3,(H2,68,84)(H2,69,92)(H,70,86)(H,71,95)(H,72,94)(H,73,101)(H,74,96)(H,75,88)(H,76,85)(H,77,87)(H,78,89)(H,79,98)(H,80,100)(H,81,97)(H,82,99)(H,83,93)(H,90,91)/t38?,39-,41-,42-,43-,44-,45-,46-,47-,48-,56-/m0/s1