Current position:Home >Product >

(4S)-5-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-6-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]hexanoyl

Systemtic Name:	(4S)-5-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-6-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]hexanoyl
Openeye Name:	(4S)-5-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1R)-2-[[2-[[(1S)-1-[[(1S)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-5-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1R)-2-[[2-[[(1S)-1-[[(1S)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-4-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]hexanoyl]amino]-5-keto-valeric acid
Formula:	C₆₁H₉₇N₁₅O₁₆S
MolecularWeight:	1328.57878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N)N

InChI

InChI=1S/C61H97N15O16S/c1-7-34(6)51(65)61(92)71-39(17-11-13-23-63)54(85)70-40(20-21-49(79)80)56(87)74-44(28-47(64)77)59(90)73-43(25-33(4)5)58(89)69-38(16-10-12-22-62)55(86)75-45(29-50(81)82)60(91)76-46(31-93)53(84)67-30-48(78)68-42(24-32(2)3)57(88)72-41(52(66)83)27-35-18-19-36-14-8-9-15-37(36)26-35/h8-9,14-15,18-19,26,32-34,38-46,51,93H,7,10-13,16-17,20-25,27-31,62-63,65H2,1-6H3,(H2,64,77)(H2,66,83)(H,67,84)(H,68,78)(H,69,89)(H,70,85)(H,71,92)(H,72,88)(H,73,90)(H,74,87)(H,75,86)(H,76,91)(H,79,80)(H,81,82)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-/m0/s1

Other Product