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(2S)-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2S)-1-[(2R)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]butanediamide

Systemtic Name:	(2S)-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2S)-1-[(2R)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]butanediamide
Openeye Name:	(2S)-N-[(1S,2R)-1-[[(1S)-2-[2-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-[(N'-methylcarbamimidoyl)amino]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]hydrazino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]-2-[[(2S)-1-[(2R)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoyl]-3-hydroxy-pyrrolidine-2-carbonyl]amino]butanediamide
CAS Name:	(2S)-N-[(2S,3R)-1-[[(2S)-1-[[[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[[amino(methylimino)methyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]hydrazo]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[[(2S)-3-hydroxy-1-[(2R)-3-(4-hydroxyphenyl)-1-oxo-2-(1-oxodecylamino)propyl]-2-pyrrolidinyl]-oxomethyl]amino]butanediamide
IUPAC Name:	(2S)-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S)-1-[(2R)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]butanediamide
Traditional Name:	(2S)-N-[(1S,2R)-1-[[(1S)-2-[N'-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-4-[(N'-methylamidino)amino]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]hydrazino]-1-benzyl-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]-2-[[(2S)-1-[(2R)-2-(caprylamino)-3-(4-hydroxyphenyl)propanoyl]-3-hydroxy-prolyl]amino]succinamide
Formula:	C₆₆H₉₆N₁₆O₁₄
MolecularWeight:	1337.56724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCC(C2C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NNC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=NC)N)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N)O

Isomeric SMILES

CCCCCCCCCC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N2CCC([C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=NC)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N)O

InChI

InChI=1S/C66H96N16O14/c1-6-7-8-9-10-11-15-24-54(87)73-51(34-41-25-27-43(84)28-26-41)64(95)82-31-29-52(85)56(82)63(94)77-50(36-53(67)86)60(91)79-55(39(4)83)62(93)76-49(33-40-19-13-12-14-20-40)61(92)80-81-66(96)78-48(32-38(2)3)59(90)74-46(23-18-30-71-65(69)70-5)58(89)75-47(57(68)88)35-42-37-72-45-22-17-16-21-44(42)45/h12-14,16-17,19-22,25-28,37-39,46-52,55-56,72,83-85H,6-11,15,18,23-24,29-36H2,1-5H3,(H2,67,86)(H2,68,88)(H,73,87)(H,74,90)(H,75,89)(H,76,93)(H,77,94)(H,79,91)(H,80,92)(H3,69,70,71)(H2,78,81,96)/t39-,46+,47+,48+,49+,50+,51-,52?,55+,56+/m1/s1

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